1-[2-(1-benzothiophen-3-yl)ethyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(2-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(3-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methylphenyl)ethyl]urea;bis(1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea);1-[(2S)-2-(dimethylamino)-3-(6-oxo-1H-pyridin-3-yl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-phenylpropan-2-yl)urea);bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-thiophen-3-ylpropan-2-yl)urea);1-[2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-3-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropyl]-3-(2-phenylethyl)urea

C286H393F2N43O24S7 — CID 159837795

IUPAC1-[2-(1-benzothiophen-3-yl)ethyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(2-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(3-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methylphenyl)ethyl]urea;bis(1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea);1-[(2S)-2-(dimethylamino)-3-(6-oxo-1H-pyridin-3-yl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-phenylpropan-2-yl)urea);bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-thiophen-3-ylpropan-2-yl)urea);1-[2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-3-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropyl]-3-(2-phenylethyl)urea
SMILESC=CCN(CC(Cc1ccccc1)N(C)C)C(=O)N[C@H](C)Cc1ccsc1.CN(C)C(CNC(=O)NC(C)(C)Cc1ccccc1)Cc1ccccc1.CN(C)C(CNC(=O)NC(C)(C)Cc1ccccc1)Cc1ccccc1.CN(C)C(CNC(=O)NC(C)(C)Cc1ccsc1)Cc1ccccc1.CN(C)C(CNC(=O)NC(C)(C)Cc1ccsc1)Cc1ccccc1.CN(C)C(CNC(=O)NCCc1cccc(F)c1)Cc1ccc(O)cc1.CN(C)C(CNC(=O)NCCc1ccccc1F)Cc1ccc(O)cc1.CN(C)C(CNC(=O)NCCc1ccsc1)Cc1ccc(O)cc1.CN(C)C(CNC(=O)NCCc1ccsc1)Cc1ccc(O)cc1.CN(C)C(CNC(=O)NCCc1csc2ccccc12)Cc1ccc(O)cc1.COc1ccc(CCNC(=O)NCC(Cc2ccc(O)cc2)N(C)C)cc1.C[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1ccc(=O)[nH]c1)N(C)C.Cc1ccc(CCNC(=O)NCC(Cc2ccc(O)cc2)N(C)C)cc1.O=C(NCCc1ccccc1)NC[C@H](Cc1ccc(O)cc1)N1CCCC1
InChIInChI=1S/C22H27N3O2S.C22H29N3O2.C22H31N3OS.2C22H31N3O.C21H29N3O3.C21H29N3O2.2C20H26FN3O2.2C20H29N3OS.C18H26N4O2S.2C18H25N3O2S/c1-25(2)18(13-16-7-9-19(26)10-8-16)14-24-22(27)23-12-11-17-15-28-21-6-4-3-5-20(17)21;26-21-10-8-19(9-11-21)16-20(25-14-4-5-15-25)17-24-22(27)23-13-12-18-6-2-1-3-7-18;1-5-12-25(22(26)23-18(2)14-20-11-13-27-17-20)16-21(24(3)4)15-19-9-7-6-8-10-19;2*1-22(2,16-19-13-9-6-10-14-19)24-21(26)23-17-20(25(3)4)15-18-11-7-5-8-12-18;1-24(2)18(14-17-4-8-19(25)9-5-17)15-23-21(26)22-13-12-16-6-10-20(27-3)11-7-16;1-16-4-6-17(7-5-16)12-13-22-21(26)23-15-19(24(2)3)14-18-8-10-20(25)11-9-18;1-24(2)18(13-16-6-8-19(25)9-7-16)14-23-20(26)22-11-10-15-4-3-5-17(21)12-15;1-24(2)17(13-15-7-9-18(25)10-8-15)14-23-20(26)22-12-11-16-5-3-4-6-19(16)21;2*1-20(2,13-17-10-11-25-15-17)22-19(24)21-14-18(23(3)4)12-16-8-6-5-7-9-16;1-13(8-15-6-7-25-12-15)21-18(24)20-11-16(22(2)3)9-14-4-5-17(23)19-10-14;2*1-21(2)16(11-14-3-5-17(22)6-4-14)12-20-18(23)19-9-7-15-8-10-24-13-15/h3-10,15,18,26H,11-14H2,1-2H3,(H2,23,24,27);1-3,6-11,20,26H,4-5,12-17H2,(H2,23,24,27);5-11,13,17-18,21H,1,12,14-16H2,2-4H3,(H,23,26);2*5-14,20H,15-17H2,1-4H3,(H2,23,24,26);4-11,18,25H,12-15H2,1-3H3,(H2,22,23,26);4-11,19,25H,12-15H2,1-3H3,(H2,22,23,26);3-9,12,18,25H,10-11,13-14H2,1-2H3,(H2,22,23,26);3-10,17,25H,11-14H2,1-2H3,(H2,22,23,26);2*5-11,15,18H,12-14H2,1-4H3,(H2,21,22,24);4-7,10,12-13,16H,8-9,11H2,1-3H3,(H,19,23)(H2,20,21,24);2*3-6,8,10,13,16,22H,7,9,11-12H2,1-2H3,(H2,19,20,23)/t;20-;18-,21?;;;;;;;;;13-,16-;;/m.01........0../s1
InChIKeyNOHNLMBHOBCYIM-VILMMQFKSA-N
MW5080.03 g/mol
LogP41.65
Rot. Bonds115

About 1-[2-(1-benzothiophen-3-yl)ethyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(2-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(3-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methylphenyl)ethyl]urea;bis(1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea);1-[(2S)-2-(dimethylamino)-3-(6-oxo-1H-pyridin-3-yl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-phenylpropan-2-yl)urea);bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-thiophen-3-ylpropan-2-yl)urea);1-[2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-3-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropyl]-3-(2-phenylethyl)urea

1-[2-(1-benzothiophen-3-yl)ethyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(2-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(3-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methylphenyl)ethyl]urea;bis(1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea);1-[(2S)-2-(dimethylamino)-3-(6-oxo-1H-pyridin-3-yl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-phenylpropan-2-yl)urea);bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-thiophen-3-ylpropan-2-yl)urea);1-[2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-3-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropyl]-3-(2-phenylethyl)urea (PubChem CID 159837795) has the molecular formula C286H393F2N43O24S7 and a molecular weight of 5080.03 g/mol. Its IUPAC name is 1-[2-(1-benzothiophen-3-yl)ethyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(2-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(3-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methylphenyl)ethyl]urea;bis(1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea);1-[(2S)-2-(dimethylamino)-3-(6-oxo-1H-pyridin-3-yl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-phenylpropan-2-yl)urea);bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-thiophen-3-ylpropan-2-yl)urea);1-[2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-3-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[2-(1-benzothiophen-3-yl)ethyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(2-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(3-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methylphenyl)ethyl]urea;bis(1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea);1-[(2S)-2-(dimethylamino)-3-(6-oxo-1H-pyridin-3-yl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-phenylpropan-2-yl)urea);bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-thiophen-3-ylpropan-2-yl)urea);1-[2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-3-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropyl]-3-(2-phenylethyl)urea
PubChem CID159837795
Molecular FormulaC286H393F2N43O24S7
Molecular Weight5080.03 g/mol
Exact Mass5075.89
IUPAC Name1-[2-(1-benzothiophen-3-yl)ethyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(2-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(3-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methylphenyl)ethyl]urea;bis(1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea);1-[(2S)-2-(dimethylamino)-3-(6-oxo-1H-pyridin-3-yl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-phenylpropan-2-yl)urea);bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-thiophen-3-ylpropan-2-yl)urea);1-[2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-3-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropyl]-3-(2-phenylethyl)urea
SMILESC=CCN(CC(Cc1ccccc1)N(C)C)C(=O)N[C@H](C)Cc1ccsc1.CN(C)C(CNC(=O)NC(C)(C)Cc1ccccc1)Cc1ccccc1.CN(C)C(CNC(=O)NC(C)(C)Cc1ccccc1)Cc1ccccc1.CN(C)C(CNC(=O)NC(C)(C)Cc1ccsc1)Cc1ccccc1.CN(C)C(CNC(=O)NC(C)(C)Cc1ccsc1)Cc1ccccc1.CN(C)C(CNC(=O)NCCc1cccc(F)c1)Cc1ccc(O)cc1.CN(C)C(CNC(=O)NCCc1ccccc1F)Cc1ccc(O)cc1.CN(C)C(CNC(=O)NCCc1ccsc1)Cc1ccc(O)cc1.CN(C)C(CNC(=O)NCCc1ccsc1)Cc1ccc(O)cc1.CN(C)C(CNC(=O)NCCc1csc2ccccc12)Cc1ccc(O)cc1.COc1ccc(CCNC(=O)NCC(Cc2ccc(O)cc2)N(C)C)cc1.C[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1ccc(=O)[nH]c1)N(C)C.Cc1ccc(CCNC(=O)NCC(Cc2ccc(O)cc2)N(C)C)cc1.O=C(NCCc1ccccc1)NC[C@H](Cc1ccc(O)cc1)N1CCCC1
InChIInChI=1S/C22H27N3O2S.C22H29N3O2.C22H31N3OS.2C22H31N3O.C21H29N3O3.C21H29N3O2.2C20H26FN3O2.2C20H29N3OS.C18H26N4O2S.2C18H25N3O2S/c1-25(2)18(13-16-7-9-19(26)10-8-16)14-24-22(27)23-12-11-17-15-28-21-6-4-3-5-20(17)21;26-21-10-8-19(9-11-21)16-20(25-14-4-5-15-25)17-24-22(27)23-13-12-18-6-2-1-3-7-18;1-5-12-25(22(26)23-18(2)14-20-11-13-27-17-20)16-21(24(3)4)15-19-9-7-6-8-10-19;2*1-22(2,16-19-13-9-6-10-14-19)24-21(26)23-17-20(25(3)4)15-18-11-7-5-8-12-18;1-24(2)18(14-17-4-8-19(25)9-5-17)15-23-21(26)22-13-12-16-6-10-20(27-3)11-7-16;1-16-4-6-17(7-5-16)12-13-22-21(26)23-15-19(24(2)3)14-18-8-10-20(25)11-9-18;1-24(2)18(13-16-6-8-19(25)9-7-16)14-23-20(26)22-11-10-15-4-3-5-17(21)12-15;1-24(2)17(13-15-7-9-18(25)10-8-15)14-23-20(26)22-12-11-16-5-3-4-6-19(16)21;2*1-20(2,13-17-10-11-25-15-17)22-19(24)21-14-18(23(3)4)12-16-8-6-5-7-9-16;1-13(8-15-6-7-25-12-15)21-18(24)20-11-16(22(2)3)9-14-4-5-17(23)19-10-14;2*1-21(2)16(11-14-3-5-17(22)6-4-14)12-20-18(23)19-9-7-15-8-10-24-13-15/h3-10,15,18,26H,11-14H2,1-2H3,(H2,23,24,27);1-3,6-11,20,26H,4-5,12-17H2,(H2,23,24,27);5-11,13,17-18,21H,1,12,14-16H2,2-4H3,(H,23,26);2*5-14,20H,15-17H2,1-4H3,(H2,23,24,26);4-11,18,25H,12-15H2,1-3H3,(H2,22,23,26);4-11,19,25H,12-15H2,1-3H3,(H2,22,23,26);3-9,12,18,25H,10-11,13-14H2,1-2H3,(H2,22,23,26);3-10,17,25H,11-14H2,1-2H3,(H2,22,23,26);2*5-11,15,18H,12-14H2,1-4H3,(H2,21,22,24);4-7,10,12-13,16H,8-9,11H2,1-3H3,(H,19,23)(H2,20,21,24);2*3-6,8,10,13,16,22H,7,9,11-12H2,1-2H3,(H2,19,20,23)/t;20-;18-,21?;;;;;;;;;13-,16-;;/m.01........0../s1
InChIKeyNOHNLMBHOBCYIM-VILMMQFKSA-N
XLogP41.65
TPSA816.32 Ų
H-Bond Donors36
H-Bond Acceptors45
Rotatable Bonds115
Heavy Atoms362
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005080.03
LogP ≤ 541.65
H-Bond Donors ≤ 536
H-Bond Acceptors ≤ 1045

Analyze 1-[2-(1-benzothiophen-3-yl)ethyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(2-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(3-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methylphenyl)ethyl]urea;bis(1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea);1-[(2S)-2-(dimethylamino)-3-(6-oxo-1H-pyridin-3-yl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-phenylpropan-2-yl)urea);bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-thiophen-3-ylpropan-2-yl)urea);1-[2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-3-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropyl]-3-(2-phenylethyl)urea with MolForge

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Related Compounds

1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1-methyl-3-(2-phenylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methyl-1-phenylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-(3-hydroxyphenyl)propyl]-3-(2-methyl-1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methyl-1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)thiourea;1-[(2S)-2-(dimethylamino)-3-(3-hydroxyphenyl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(6-oxo-1H-pyridin-3-yl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea
CID 167613100
1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1,3-dimethyl-3-(2-phenylethyl)urea;3-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-1-methyl-1-(2-phenylethyl)urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2S)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2R)-1-thiophen-3-ylbutan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-(2-oxo-1H-pyridin-4-yl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 159112883
1-[3-(1-benzothiophen-3-yl)-2-(dimethylamino)propyl]-3-[2-(3-fluorophenyl)ethyl]urea
CID 175355629
1-[(2R)-1-(1-benzothiophen-3-yl)propan-2-yl]-3-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea
CID 135214090
1-[1-(1-benzothiophen-3-yl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 119106181
1-[(2S)-3-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropyl]-3-(2-phenylethyl)urea;methane
CID 159423751
1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[4-[[(2S)-1-(4-hydroxyphenyl)-3-[[(2R)-1-thiophen-3-ylpropan-2-yl]carbamoylamino]propan-2-yl]-methylamino]-1-phenylbutan-2-yl]urea
CID 135214089
1-[1-(4-hydroxyphenyl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 60577862
1-[3-(1-benzothiophen-3-yl)-2-(dimethylamino)propyl]-3-[(3-methoxyphenyl)methyl]urea
CID 175356195
1-[3-(1-benzothiophen-3-yl)-2-(dimethylamino)propyl]-3-(2-thiophen-2-ylethyl)urea
CID 175349535
1-[(3-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108898465
1-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 126852195

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzothiophen-3-yl)ethyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(2-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(3-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methylphenyl)ethyl]urea;bis(1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea);1-[(2S)-2-(dimethylamino)-3-(6-oxo-1H-pyridin-3-yl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-phenylpropan-2-yl)urea);bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-thiophen-3-ylpropan-2-yl)urea);1-[2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-3-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[2-(1-benzothiophen-3-yl)ethyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(2-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(3-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methylphenyl)ethyl]urea;bis(1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea);1-[(2S)-2-(dimethylamino)-3-(6-oxo-1H-pyridin-3-yl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-phenylpropan-2-yl)urea);bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-thiophen-3-ylpropan-2-yl)urea);1-[2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-3-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropyl]-3-(2-phenylethyl)urea (CID 159837795) is 1-[2-(1-benzothiophen-3-yl)ethyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(2-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(3-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methylphenyl)ethyl]urea;bis(1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea);1-[(2S)-2-(dimethylamino)-3-(6-oxo-1H-pyridin-3-yl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-phenylpropan-2-yl)urea);bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-thiophen-3-ylpropan-2-yl)urea);1-[2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-3-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[2-(1-benzothiophen-3-yl)ethyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(2-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(3-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methylphenyl)ethyl]urea;bis(1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea);1-[(2S)-2-(dimethylamino)-3-(6-oxo-1H-pyridin-3-yl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-phenylpropan-2-yl)urea);bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-thiophen-3-ylpropan-2-yl)urea);1-[2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-3-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[2-(1-benzothiophen-3-yl)ethyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(2-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(3-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methylphenyl)ethyl]urea;bis(1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea);1-[(2S)-2-(dimethylamino)-3-(6-oxo-1H-pyridin-3-yl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-phenylpropan-2-yl)urea);bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-thiophen-3-ylpropan-2-yl)urea);1-[2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-3-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropyl]-3-(2-phenylethyl)urea is C=CCN(CC(Cc1ccccc1)N(C)C)C(=O)N[C@H](C)Cc1ccsc1.CN(C)C(CNC(=O)NC(C)(C)Cc1ccccc1)Cc1ccccc1.CN(C)C(CNC(=O)NC(C)(C)Cc1ccccc1)Cc1ccccc1.CN(C)C(CNC(=O)NC(C)(C)Cc1ccsc1)Cc1ccccc1.CN(C)C(CNC(=O)NC(C)(C)Cc1ccsc1)Cc1ccccc1.CN(C)C(CNC(=O)NCCc1cccc(F)c1)Cc1ccc(O)cc1.CN(C)C(CNC(=O)NCCc1ccccc1F)Cc1ccc(O)cc1.CN(C)C(CNC(=O)NCCc1ccsc1)Cc1ccc(O)cc1.CN(C)C(CNC(=O)NCCc1ccsc1)Cc1ccc(O)cc1.CN(C)C(CNC(=O)NCCc1csc2ccccc12)Cc1ccc(O)cc1.COc1ccc(CCNC(=O)NCC(Cc2ccc(O)cc2)N(C)C)cc1.C[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1ccc(=O)[nH]c1)N(C)C.Cc1ccc(CCNC(=O)NCC(Cc2ccc(O)cc2)N(C)C)cc1.O=C(NCCc1ccccc1)NC[C@H](Cc1ccc(O)cc1)N1CCCC1.
What is the InChIKey of 1-[2-(1-benzothiophen-3-yl)ethyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(2-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(3-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methylphenyl)ethyl]urea;bis(1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea);1-[(2S)-2-(dimethylamino)-3-(6-oxo-1H-pyridin-3-yl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-phenylpropan-2-yl)urea);bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-thiophen-3-ylpropan-2-yl)urea);1-[2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-3-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropyl]-3-(2-phenylethyl)urea?
The InChIKey is NOHNLMBHOBCYIM-VILMMQFKSA-N. The full InChI is InChI=1S/C22H27N3O2S.C22H29N3O2.C22H31N3OS.2C22H31N3O.C21H29N3O3.C21H29N3O2.2C20H26FN3O2.2C20H29N3OS.C18H26N4O2S.2C18H25N3O2S/c1-25(2)18(13-16-7-9-19(26)10-8-16)14-24-22(27)23-12-11-17-15-28-21-6-4-3-5-20(17)21;26-21-10-8-19(9-11-21)16-20(25-14-4-5-15-25)17-24-22(27)23-13-12-18-6-2-1-3-7-18;1-5-12-25(22(26)23-18(2)14-20-11-13-27-17-20)16-21(24(3)4)15-19-9-7-6-8-10-19;2*1-22(2,16-19-13-9-6-10-14-19)24-21(26)23-17-20(25(3)4)15-18-11-7-5-8-12-18;1-24(2)18(14-17-4-8-19(25)9-5-17)15-23-21(26)22-13-12-16-6-10-20(27-3)11-7-16;1-16-4-6-17(7-5-16)12-13-22-21(26)23-15-19(24(2)3)14-18-8-10-20(25)11-9-18;1-24(2)18(13-16-6-8-19(25)9-7-16)14-23-20(26)22-11-10-15-4-3-5-17(21)12-15;1-24(2)17(13-15-7-9-18(25)10-8-15)14-23-20(26)22-12-11-16-5-3-4-6-19(16)21;2*1-20(2,13-17-10-11-25-15-17)22-19(24)21-14-18(23(3)4)12-16-8-6-5-7-9-16;1-13(8-15-6-7-25-12-15)21-18(24)20-11-16(22(2)3)9-14-4-5-17(23)19-10-14;2*1-21(2)16(11-14-3-5-17(22)6-4-14)12-20-18(23)19-9-7-15-8-10-24-13-15/h3-10,15,18,26H,11-14H2,1-2H3,(H2,23,24,27);1-3,6-11,20,26H,4-5,12-17H2,(H2,23,24,27);5-11,13,17-18,21H,1,12,14-16H2,2-4H3,(H,23,26);2*5-14,20H,15-17H2,1-4H3,(H2,23,24,26);4-11,18,25H,12-15H2,1-3H3,(H2,22,23,26);4-11,19,25H,12-15H2,1-3H3,(H2,22,23,26);3-9,12,18,25H,10-11,13-14H2,1-2H3,(H2,22,23,26);3-10,17,25H,11-14H2,1-2H3,(H2,22,23,26);2*5-11,15,18H,12-14H2,1-4H3,(H2,21,22,24);4-7,10,12-13,16H,8-9,11H2,1-3H3,(H,19,23)(H2,20,21,24);2*3-6,8,10,13,16,22H,7,9,11-12H2,1-2H3,(H2,19,20,23)/t;20-;18-,21?;;;;;;;;;13-,16-;;/m.01........0../s1.
What are the key properties of 1-[2-(1-benzothiophen-3-yl)ethyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(2-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(3-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methylphenyl)ethyl]urea;bis(1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea);1-[(2S)-2-(dimethylamino)-3-(6-oxo-1H-pyridin-3-yl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-phenylpropan-2-yl)urea);bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-thiophen-3-ylpropan-2-yl)urea);1-[2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-3-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropyl]-3-(2-phenylethyl)urea?
1-[2-(1-benzothiophen-3-yl)ethyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(2-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(3-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methylphenyl)ethyl]urea;bis(1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea);1-[(2S)-2-(dimethylamino)-3-(6-oxo-1H-pyridin-3-yl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-phenylpropan-2-yl)urea);bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-thiophen-3-ylpropan-2-yl)urea);1-[2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-3-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropyl]-3-(2-phenylethyl)urea has a molecular weight of 5080.03 g/mol, XLogP of 41.65, 115 rotatable bonds, 36 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzothiophen-3-yl)ethyl]-3-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(2-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(3-fluorophenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea;1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(4-methylphenyl)ethyl]urea;bis(1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea);1-[(2S)-2-(dimethylamino)-3-(6-oxo-1H-pyridin-3-yl)propyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea;bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-phenylpropan-2-yl)urea);bis(1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-thiophen-3-ylpropan-2-yl)urea);1-[2-(dimethylamino)-3-phenylpropyl]-1-prop-2-enyl-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea;1-[(2S)-3-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 159837795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).